1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine

C17H18ClN5 — CID 126478176

IUPAC1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1cccc(-n2nnnc2C(c2ccc(Cl)cc2)N(C)C)c1
InChIInChI=1S/C17H18ClN5/c1-12-5-4-6-15(11-12)23-17(19-20-21-23)16(22(2)3)13-7-9-14(18)10-8-13/h4-11,16H,1-3H3
InChIKeyVTFXKERXDGVZDN-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine

1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine (PubChem CID 126478176) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
PubChem CID126478176
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
SMILESCc1cccc(-n2nnnc2C(c2ccc(Cl)cc2)N(C)C)c1
InChIInChI=1S/C17H18ClN5/c1-12-5-4-6-15(11-12)23-17(19-20-21-23)16(22(2)3)13-7-9-14(18)10-8-13/h4-11,16H,1-3H3
InChIKeyVTFXKERXDGVZDN-UHFFFAOYSA-N
XLogP3.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4'-chloro Deschloroalprazolam
CID 142641556
4-((2-chlorobenzyl)(1-(1-ethyl-1H-tetrazol-5-yl)ethyl)amino)-2-chlorobenzonitrile
CID 45271451
1-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-N,N-dimethylcyclohexanamine
CID 581177
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-4-(3-chloro-phenyl)-piperazine
CID 646653
1-(5-Chloro-2-methyl-phenyl)-4-(1-cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 649196
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-(5-chloro-2-methyl-phenyl)-piperazine
CID 655300
[(3-Chloro-phenyl)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-o-tolyl-amine
CID 3089937
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-(4-chloro-phenyl)-methyl]-ethyl-amine
CID 3193421
N-(4-chlorobenzylidene)-N-{1-[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]-1-methylethyl}amine
CID 4251773
N-{(2-chlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]methyl}-N-methylpropanamide
CID 4689284

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine (CID 126478176) is 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine is Cc1cccc(-n2nnnc2C(c2ccc(Cl)cc2)N(C)C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is VTFXKERXDGVZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c1-12-5-4-6-15(11-12)23-17(19-20-21-23)16(22(2)3)13-7-9-14(18)10-8-13/h4-11,16H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine?
1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 327.82 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 126478176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).